5-(Phenylethynyl)-4-(1-Pyrrolidinyl)-7H-Pyrrolo[2,3-D]Pyrimidin-2-Amine
Properties
| Property | Value |
|---|---|
| Formula | C18H17N5 |
| IUPAC Name | 5-(2-phenylethynyl)-4-pyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidin-7-ium-7a-ylium-2-amine |
| Molecular Mass | 303.361 g·mol−1 |
| Heat of Formation | 540.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.58 ± 1.08 D |
| Volume | 362.12 Å 3 |
| Surface Area | 326.76 Å 2 |
| HOMO Energy | -7.98 ± 0.55 eV |
| LUMO Energy | -0.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PFDYIZWUJSPGHR-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N |